CID 15287071

3-bromo-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC2=C(C=NN2C1)Br
InChI
InChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKey
ASLSBGAOXZIHHP-UHFFFAOYSA-N
Compound name
3-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

185.97926 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 139.7
[M+Na]+ 208.96848 141.6
[M+NH4]+ 204.01308 145.2
[M+K]+ 224.94242 144.3
[M-H]- 184.97198 139.0
[M+Na-2H]- 206.95393 141.0
[M]+ 185.97871 138.4
[M]- 185.97981 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe